1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea

C9H15N3OS — CID 30002190

IUPAC1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea
SMILESO=C(NNC(=S)NC1CC1)C1CCC1
InChIInChI=1S/C9H15N3OS/c13-8(6-2-1-3-6)11-12-9(14)10-7-4-5-7/h6-7H,1-5H2,(H,11,13)(H2,10,12,14)
InChIKeyYDMJTKKPHQFCDT-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.44
Rot. Bonds2

About 1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea

1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea (PubChem CID 30002190) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea
PubChem CID30002190
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea
SMILESO=C(NNC(=S)NC1CC1)C1CCC1
InChIInChI=1S/C9H15N3OS/c13-8(6-2-1-3-6)11-12-9(14)10-7-4-5-7/h6-7H,1-5H2,(H,11,13)(H2,10,12,14)
InChIKeyYDMJTKKPHQFCDT-UHFFFAOYSA-N
XLogP0.44
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea
CID 24644179
1-(cyclohexanecarbonylamino)-3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11946131
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N'-(cyclobutanecarbonyl)oxetane-3-carbohydrazide
CID 145240371
1-cyclopentyl-3-(propanoylamino)thiourea
CID 17372527
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N'-(2-chloroacetyl)cyclobutanecarbohydrazide
CID 52908224
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272
N-[(4-nitrocyclohexyl)carbamothioyl]cyclohexanecarboxamide
CID 140628405

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea?
The IUPAC name of 1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea (CID 30002190) is 1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea.
What is the SMILES notation for 1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea?
The canonical SMILES for 1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea is O=C(NNC(=S)NC1CC1)C1CCC1.
What is the InChIKey of 1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea?
The InChIKey is YDMJTKKPHQFCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c13-8(6-2-1-3-6)11-12-9(14)10-7-4-5-7/h6-7H,1-5H2,(H,11,13)(H2,10,12,14).
What are the key properties of 1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea?
1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea has a molecular weight of 213.31 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea is sourced from PubChem (CID 30002190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).